REMARK  Name = BDB059332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.619   1.925   1.853  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.902   1.208   0.897  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.067   0.691   0.052  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.113  -0.199  -0.417  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.309   0.814   0.619  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.730   0.392  -0.649  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -4.064   0.030  -0.874  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -4.979   0.097   0.178  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.566   0.531   1.441  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.238   0.892   1.661  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.330  -0.362  -2.156  0.00  0.00    -0.406 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.661  -0.739  -2.473  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1       -6.516   0.287  -2.277  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -6.053  -1.801  -1.738  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1       -5.712  -1.086  -3.777  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        1.518   0.829   0.572  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        1.526   1.440   1.407  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.225  -0.671   1.003  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        1.534  -1.697   0.245  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.299  -0.709   2.447  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.859  -0.485   0.346  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        4.911  -0.121   1.191  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.198   0.002   0.668  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.430  -0.246  -0.686  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.377  -0.621  -1.523  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.087  -0.746  -1.009  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 6